1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine

C16H20N4 — CID 62981651

IUPAC1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine
SMILESc1cc(NC2CCN(C3CC3)C2)cc(-n2cccn2)c1
InChIInChI=1S/C16H20N4/c1-3-13(11-16(4-1)20-9-2-8-17-20)18-14-7-10-19(12-14)15-5-6-15/h1-4,8-9,11,14-15,18H,5-7,10,12H2
InChIKeyGLNIBHZWNAYPLY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.52
Rot. Bonds4

About 1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine

1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine (PubChem CID 62981651) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine
PubChem CID62981651
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine
SMILESc1cc(NC2CCN(C3CC3)C2)cc(-n2cccn2)c1
InChIInChI=1S/C16H20N4/c1-3-13(11-16(4-1)20-9-2-8-17-20)18-14-7-10-19(12-14)15-5-6-15/h1-4,8-9,11,14-15,18H,5-7,10,12H2
InChIKeyGLNIBHZWNAYPLY-UHFFFAOYSA-N
XLogP2.52
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine (CID 62981651) is 1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine is c1cc(NC2CCN(C3CC3)C2)cc(-n2cccn2)c1.
What is the InChIKey of 1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine?
The InChIKey is GLNIBHZWNAYPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-13(11-16(4-1)20-9-2-8-17-20)18-14-7-10-19(12-14)15-5-6-15/h1-4,8-9,11,14-15,18H,5-7,10,12H2.
What are the key properties of 1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine?
1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 62981651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).